N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide

C22H27FN2O3 — CID 120630833

IUPACN-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(OCc3cccc(F)c3)cc2C)CCNCC1
InChIInChI=1S/C22H27FN2O3/c1-16-12-19(28-14-17-4-3-5-18(23)13-17)6-7-20(16)25-21(26)22(15-27-2)8-10-24-11-9-22/h3-7,12-13,24H,8-11,14-15H2,1-2H3,(H,25,26)
InChIKeyJVFZVLMAOYGNHL-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.67
Rot. Bonds7

About N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120630833) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120630833
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC NameN-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(OCc3cccc(F)c3)cc2C)CCNCC1
InChIInChI=1S/C22H27FN2O3/c1-16-12-19(28-14-17-4-3-5-18(23)13-17)6-7-20(16)25-21(26)22(15-27-2)8-10-24-11-9-22/h3-7,12-13,24H,8-11,14-15H2,1-2H3,(H,25,26)
InChIKeyJVFZVLMAOYGNHL-UHFFFAOYSA-N
XLogP3.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624422
N-(4-ethoxy-2-methylphenyl)-4-ethylpiperidine-4-carboxamide
CID 63128389
3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide
CID 86886668
N-(2,3-difluorophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620409
N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120636251
N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630241
N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120636250
N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121495
4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120638200
N-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618338
N-[(3-ethoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621206
N-(4-fluoro-2-methylphenyl)-2-(3-phenylmethoxyphenyl)acetamide
CID 23440855

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120630833) is N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)Nc2ccc(OCc3cccc(F)c3)cc2C)CCNCC1.
What is the InChIKey of N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is JVFZVLMAOYGNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-16-12-19(28-14-17-4-3-5-18(23)13-17)6-7-20(16)25-21(26)22(15-27-2)8-10-24-11-9-22/h3-7,12-13,24H,8-11,14-15H2,1-2H3,(H,25,26).
What are the key properties of N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120630833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).